1-[3-[bis[(3,5-dichlorophenyl)sulfonyl]amino]phenyl]-3-(3,5-dichlorophenyl)urea

C25H15Cl6N3O5S2 — CID 10122938

IUPAC1-[3-[bis[(3,5-dichlorophenyl)sulfonyl]amino]phenyl]-3-(3,5-dichlorophenyl)urea
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)Nc1cccc(N(S(=O)(=O)c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C25H15Cl6N3O5S2/c26-14-4-15(27)8-21(7-14)33-25(35)32-20-2-1-3-22(13-20)34(40(36,37)23-9-16(28)5-17(29)10-23)41(38,39)24-11-18(30)6-19(31)12-24/h1-13H,(H2,32,33,35)
InChIKeyNSMPPTJTBHMFHR-UHFFFAOYSA-N
MW714.26 g/mol
LogP8.84
Rot. Bonds7

About 1-[3-[bis[(3,5-dichlorophenyl)sulfonyl]amino]phenyl]-3-(3,5-dichlorophenyl)urea

1-[3-[bis[(3,5-dichlorophenyl)sulfonyl]amino]phenyl]-3-(3,5-dichlorophenyl)urea (PubChem CID 10122938) has the molecular formula C25H15Cl6N3O5S2 and a molecular weight of 714.26 g/mol. Its IUPAC name is 1-[3-[bis[(3,5-dichlorophenyl)sulfonyl]amino]phenyl]-3-(3,5-dichlorophenyl)urea.

Molecular Properties

Compound Name1-[3-[bis[(3,5-dichlorophenyl)sulfonyl]amino]phenyl]-3-(3,5-dichlorophenyl)urea
PubChem CID10122938
Molecular FormulaC25H15Cl6N3O5S2
Molecular Weight714.26 g/mol
Exact Mass710.86
IUPAC Name1-[3-[bis[(3,5-dichlorophenyl)sulfonyl]amino]phenyl]-3-(3,5-dichlorophenyl)urea
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)Nc1cccc(N(S(=O)(=O)c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C25H15Cl6N3O5S2/c26-14-4-15(27)8-21(7-14)33-25(35)32-20-2-1-3-22(13-20)34(40(36,37)23-9-16(28)5-17(29)10-23)41(38,39)24-11-18(30)6-19(31)12-24/h1-13H,(H2,32,33,35)
InChIKeyNSMPPTJTBHMFHR-UHFFFAOYSA-N
XLogP8.84
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.26
LogP ≤ 58.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-3-[3-[methyl(methylsulfonyl)amino]phenyl]urea
CID 2224615
4-[(3-chlorophenyl)carbamoylamino]benzenesulfonic acid
CID 108869978
1-[3-(aminomethyl)phenyl]-3-(3,5-dichlorophenyl)urea
CID 107654075
1-(3,5-dichlorophenyl)-3-(3-methylsulfanylphenyl)urea
CID 127577317
1-(3-chlorophenyl)-3-[4-[ethyl(phenyl)sulfamoyl]phenyl]urea
CID 1226694
N-(3-chlorophenyl)-N'-(3,5-dichlorophenyl)oxamide
CID 108516544
3,5-dichloro-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 10971378
CID 73055968
CID 73055968
1-(3,5-dichlorophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991412
1-(3-amino-4-ethylphenyl)-3-(3,5-dichlorophenyl)urea
CID 107652978
2-[(3,5-dichlorophenyl)sulfonyl-methylamino]-N-(3-fluorophenyl)acetamide
CID 26942310
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 126127010

Frequently Asked Questions

What is the IUPAC name of 1-[3-[bis[(3,5-dichlorophenyl)sulfonyl]amino]phenyl]-3-(3,5-dichlorophenyl)urea?
The IUPAC name of 1-[3-[bis[(3,5-dichlorophenyl)sulfonyl]amino]phenyl]-3-(3,5-dichlorophenyl)urea (CID 10122938) is 1-[3-[bis[(3,5-dichlorophenyl)sulfonyl]amino]phenyl]-3-(3,5-dichlorophenyl)urea.
What is the SMILES notation for 1-[3-[bis[(3,5-dichlorophenyl)sulfonyl]amino]phenyl]-3-(3,5-dichlorophenyl)urea?
The canonical SMILES for 1-[3-[bis[(3,5-dichlorophenyl)sulfonyl]amino]phenyl]-3-(3,5-dichlorophenyl)urea is O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cccc(N(S(=O)(=O)c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 1-[3-[bis[(3,5-dichlorophenyl)sulfonyl]amino]phenyl]-3-(3,5-dichlorophenyl)urea?
The InChIKey is NSMPPTJTBHMFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15Cl6N3O5S2/c26-14-4-15(27)8-21(7-14)33-25(35)32-20-2-1-3-22(13-20)34(40(36,37)23-9-16(28)5-17(29)10-23)41(38,39)24-11-18(30)6-19(31)12-24/h1-13H,(H2,32,33,35).
What are the key properties of 1-[3-[bis[(3,5-dichlorophenyl)sulfonyl]amino]phenyl]-3-(3,5-dichlorophenyl)urea?
1-[3-[bis[(3,5-dichlorophenyl)sulfonyl]amino]phenyl]-3-(3,5-dichlorophenyl)urea has a molecular weight of 714.26 g/mol, XLogP of 8.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[bis[(3,5-dichlorophenyl)sulfonyl]amino]phenyl]-3-(3,5-dichlorophenyl)urea is sourced from PubChem (CID 10122938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).